COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.521   0.826  -6.498  1.00  0.00           C  
HETATM    2  C   UNL     1       2.803   0.537  -6.843  1.00  0.00           C  
HETATM    3  C   UNL     1       3.693  -0.041  -5.940  1.00  0.00           C  
HETATM    4  C   UNL     1       3.320  -0.346  -4.665  1.00  0.00           C  
HETATM    5  O   UNL     1       4.210  -0.909  -3.807  1.00  0.00           O  
HETATM    6  C   UNL     1       1.581  -0.369  -2.941  1.00  0.00           C  
HETATM    7  O   UNL     1       2.446  -0.932  -2.057  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.194  -0.370  -1.255  1.00  0.00           C  
HETATM    9  O   UNL     1       0.646  -0.936  -0.350  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.891  -0.431   0.514  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.838  -0.069   1.410  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.165   0.312   0.909  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.219   0.074  -0.177  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.489   0.554   0.269  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.795   0.832  -1.432  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.979   0.798  -3.080  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.866   1.362  -3.942  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.246   0.823  -4.809  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.110   1.387  -5.692  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.312  -1.399  -0.481  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.663  -1.871  -1.382  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.215  -2.282   0.340  1.00  0.00           C  
HETATM   23  C   UNL     1       1.067   0.537  -5.194  1.00  0.00           C  
HETATM   24  C   UNL     1       1.999  -0.071  -4.241  1.00  0.00           C  
HETATM   25  C   UNL     1       0.268  -0.083  -2.556  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.664   0.524  -3.509  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.370   0.498  -1.800  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.486  -0.081  -0.896  1.00  0.00           C  
HETATM   29  C   UNL     1       5.437  -1.057  -4.525  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.747  -1.112   2.382  1.00  0.00           C  
HETATM   31  C   UNL     1       0.576  -0.986   3.141  1.00  0.00           C  
HETATM   32  C   UNL     1       0.637   0.389   3.813  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.622   0.579   4.665  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.609  -0.351   5.749  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.855   0.331   3.792  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.838  -1.005   3.295  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.119   0.547   4.627  1.00  0.00           C  
HETATM   38  N   UNL     1       1.827   0.466   4.671  1.00  0.00           N  
HETATM   39  C   UNL     1       1.870   1.831   5.212  1.00  0.00           C  
HETATM   40  O   UNL     1       1.179   1.870   6.462  1.00  0.00           O  
HETATM   41  C   UNL     1       2.993   0.325   3.788  1.00  0.00           C  
HETATM   42  C   UNL     1       4.275   0.397   4.621  1.00  0.00           C  
HETATM   43  O   UNL     1       4.277  -0.658   5.584  1.00  0.00           O  
HETATM   44  C   UNL     1       5.492  -0.537   6.326  1.00  0.00           C  
HETATM   45  H   UNL     1       0.853   1.274  -7.219  1.00  0.00           H  
HETATM   46  H   UNL     1       3.141   0.761  -7.844  1.00  0.00           H  
HETATM   47  H   UNL     1       4.702  -0.254  -6.259  1.00  0.00           H  
HETATM   48  H   UNL     1       2.888  -0.205  -1.598  1.00  0.00           H  
HETATM   49  H   UNL     1       1.117  -0.212   0.084  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.067  -1.504   0.582  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.530  -0.065   1.864  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.956   1.379   0.991  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.119   0.384  -0.444  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.453   0.559  -2.257  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.877   1.904  -1.249  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.783   2.320  -3.841  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.023   2.345  -5.595  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.150  -3.307  -0.023  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.905  -2.247   1.385  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.243  -1.930   0.255  1.00  0.00           H  
HETATM   61  H   UNL     1       6.187  -1.508  -3.874  1.00  0.00           H  
HETATM   62  H   UNL     1       5.276  -1.698  -5.391  1.00  0.00           H  
HETATM   63  H   UNL     1       5.785  -0.079  -4.856  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.787  -2.079   1.882  1.00  0.00           H  
HETATM   65  H   UNL     1       1.407  -1.088   2.443  1.00  0.00           H  
HETATM   66  H   UNL     1       0.637  -1.766   3.899  1.00  0.00           H  
HETATM   67  H   UNL     1       0.684   1.167   3.051  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.652   1.596   5.057  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.421  -0.204   6.253  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.850   1.029   2.955  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.999   0.379   4.005  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.126  -0.152   5.463  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.133   1.568   5.007  1.00  0.00           H  
HETATM   74  H   UNL     1       2.907   2.131   5.361  1.00  0.00           H  
HETATM   75  H   UNL     1       1.392   2.515   4.511  1.00  0.00           H  
HETATM   76  H   UNL     1       1.230   2.781   6.782  1.00  0.00           H  
HETATM   77  H   UNL     1       2.992   1.131   3.053  1.00  0.00           H  
HETATM   78  H   UNL     1       2.947  -0.634   3.275  1.00  0.00           H  
HETATM   79  H   UNL     1       4.322   1.358   5.134  1.00  0.00           H  
HETATM   80  H   UNL     1       5.140   0.293   3.966  1.00  0.00           H  
HETATM   81  H   UNL     1       5.538  -1.326   7.077  1.00  0.00           H  
HETATM   82  H   UNL     1       6.341  -0.630   5.649  1.00  0.00           H  
HETATM   83  H   UNL     1       5.523   0.434   6.817  1.00  0.00           H  
CONECT    1    2    2   23   45                                       
CONECT    2    1    1    3   46                                       
CONECT    3    2    4    4   47                                       
CONECT    4    3    3    5   24                                       
CONECT    5    4   29                                                 
CONECT    6    7   24   24   25                                       
CONECT    7    6   48                                                 
CONECT    8    9   25   25   28                                       
CONECT    9    8   49                                                 
CONECT   10   11   12   28   50                                       
CONECT   11   10   30                                                 
CONECT   12   10   13   51   52                                       
CONECT   13   12   14   15   20                                       
CONECT   14   13   53                                                 
CONECT   15   13   27   54   55                                       
CONECT   16   17   26   26   27                                       
CONECT   17   16   56                                                 
CONECT   18   19   23   23   26                                       
CONECT   19   18   57                                                 
CONECT   20   13   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   58   59   60                                       
CONECT   23    1   18   18   24                                       
CONECT   24    4    6    6   23                                       
CONECT   25    6    8    8   26                                       
CONECT   26   16   16   18   25                                       
CONECT   27   15   16   28   28                                       
CONECT   28    8   10   27   27                                       
CONECT   29    5   61   62   63                                       
CONECT   30   11   31   36   64                                       
CONECT   31   30   32   65   66                                       
CONECT   32   31   33   38   67                                       
CONECT   33   32   34   35   68                                       
CONECT   34   33   69                                                 
CONECT   35   33   36   37   70                                       
CONECT   36   30   35                                                 
CONECT   37   35   71   72   73                                       
CONECT   38   32   39   41                                            
CONECT   39   38   40   74   75                                       
CONECT   40   39   76                                                 
CONECT   41   38   42   77   78                                       
CONECT   42   41   43   79   80                                       
CONECT   43   42   44                                                 
CONECT   44   43   81   82   83                                       
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
